Molecular mechanisms of the ion channel gating

2017 Fiscal Year Final Research Report

• Project/Area Number: 15H05594
• Research Category: Grant-in-Aid for Young Scientists (A)
• Allocation Type: Single-year Grants
• Research Field: Biophysics
• Research Institution: Institute of Physical and Chemical Research
• Principal Investigator: MORI Takaharu 国立研究開発法人理化学研究所, 杉田理論分子科学研究室, 研究員 (90402445)
• Project Period (FY): 2015-04-01 – 2018-03-31
• Keywords: 分子動力学 / 膜タンパク質 / イオンチャネル

Outline of Final Research Achievements

Since membrane proteins are large bimolecular systems, it is difficult to simulate their large conformational changes like gating of ion channel proteins by using conventional methods. To solve such problems, we developed new methods such as the multi-dimensional replica-exchange method, implicit solvent model, and parallel computing algorithm for cryo-EM flexible fitting. By using these methods, we simulated the P2X4 receptor, and elucidated the molecular mechanisms of the channel gating.

Free Research Field

生物物理